1-Ethyl-1,2,3,4-tetrahydro-3,3-dimethylquinoline
Basic information
- CAS
112565-70-5- Standard SMILES
CCN1CC(C)(C)Cc2ccccc21- InChIKey
PKBUWIDCDSPZHI-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- 1-Ethyl-1,2,3,4-tetrahydro-3,3-dimethylquinoline
- IUPAC
- 1-ethyl-3,3-dimethyl-2,4-dihydroquinoline
Names & synonyms
1-Ethyl-1,2,3,4-tetrahydro-3,3-dimethylquinoline112565-70-5RefChem:230182DTXSID9012369101-Ethyl-3,3-dimethyl-1,2,3,4-tetrahydroquinoline
Database identifiers
- CAS
112565-70-5- PubChem CID
- 13836670
- DTXSID
DTXSID901236910
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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